VU0604956-1
TL;DR: VU0604956-1 (CAS 714937-52-7) is a chemical compound with molecular formula C21H15N5O3S2 and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol
Also Known As: VU0604956-1, (E)-3-(((2-amino-3-(thiophen-2-ylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)phenol, SBI-0243996.0001, 3-[(1E)-{[2-amino-3-(thiophene-2-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]imino}methyl]phenol, 3-[(E)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol
| Molecular Formula | C21H15N5O3S2 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 3.6488 |
| Topological Polar Surface Area | 123.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.06165 |
| Heavy Atoms | 31 |
| Complexity | 1571.9893 |
Chemical Identifiers
| CAS Number | 714937-52-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)/N=C/C4=CC(=CC=C4)O)N)S(=O)(=O)C5=CC=CS5 |
Product Overview
VU0604956-1 (CAS 714937-52-7), with molecular formula C21H15N5O3S2 and molecular weight 449.06 g/mol. IUPAC: 3-[(E)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol.
Chemical Property Profile of VU0604956-1
Property Insights of VU0604956-1
The XLogP value of 3.6488 indicates that VU0604956-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0604956-1. Following Lipinski's Rule of Five, VU0604956-1 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0604956-1?
The CAS number of VU0604956-1 is 714937-52-7.
What is the molecular formula of VU0604956-1?
The molecular formula of VU0604956-1 is C21H15N5O3S2.
What is the molecular weight of VU0604956-1?
The molecular weight of VU0604956-1 is 449.06 g/mol.
Where can I buy VU0604956-1?
You can request a quote for VU0604956-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0604956-1?
Yes, KEHONG BIO provides custom synthesis services for VU0604956-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.